UCSF

ZINC41587313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 7.27 -11.9 0 8 0 81 478.545 7
Mid Mid (pH 6-8) 3.54 9.53 -49.9 1 8 1 83 479.553 7
Mid Mid (pH 6-8) 3.54 10.12 -56.3 1 8 1 83 479.553 7
Lo Low (pH 4.5-6) 3.54 12.4 -130.2 2 8 2 84 480.561 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.